N-methyl-N-[(5-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}furan-2-yl)methyl]methanesulfonamide

• ChemBase ID: 502852
• Molecular Formular: C18H29N3O4S
• Molecular Mass: 383.50556
• Monoisotopic Mass: 383.18787742
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN1CCC(C(=O)N2CCCC2)CC1)C)C
• Canonical SMILES: CN(S(=O)(=O)C)Cc1ccc(o1)CN1CCC(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C18H29N3O4S/c1-19(26(2,23)24)13-16-5-6-17(25-16)14-20-11-7-15(8-12-20)18(22)21-9-3-4-10-21/h5-6,15H,3-4,7-14H2,1-2H3
• InChIKey: HDAQWWFDSQVGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}furan-2-yl)methyl]methanesulfonamide
• IUPAC Traditional name: N-methyl-N-[(5-{[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}furan-2-yl)methyl]methanesulfonamide
• Synonyms: N-methyl-N-[(5-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]methyl}-2-furyl)methyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9195993
• LogD (pH = 7.4): -1.1460499
• Log P: -0.3224621
• Molar Refractivity: 100.8225 cm^3
• Polarizability: 39.606586 Å^3
• Polar Surface Area: 74.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.74
• LOG S: -2.63
• Polar Surface Area: 74.07 Å^2
• Rotatable Bonds: 5